3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid

C8H8ClNO5 — CID 66165991

IUPAC3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(Cl)o1
InChIInChI=1S/C8H8ClNO5/c9-6-2-1-5(15-6)7(12)10-3-4(11)8(13)14/h1-2,4,11H,3H2,(H,10,12)(H,13,14)
InChIKeyWSFRAUOYAUVIFT-UHFFFAOYSA-N
MW233.61 g/mol
LogP0.11
Rot. Bonds4

About 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid

3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66165991) has the molecular formula C8H8ClNO5 and a molecular weight of 233.61 g/mol. Its IUPAC name is 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66165991
Molecular FormulaC8H8ClNO5
Molecular Weight233.61 g/mol
Exact Mass233.01
IUPAC Name3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(Cl)o1
InChIInChI=1S/C8H8ClNO5/c9-6-2-1-5(15-6)7(12)10-3-4(11)8(13)14/h1-2,4,11H,3H2,(H,10,12)(H,13,14)
InChIKeyWSFRAUOYAUVIFT-UHFFFAOYSA-N
XLogP0.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65493090
5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 111566061
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
(2S)-3-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833572
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid (CID 66165991) is 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)c1ccc(Cl)o1.
What is the InChIKey of 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is WSFRAUOYAUVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO5/c9-6-2-1-5(15-6)7(12)10-3-4(11)8(13)14/h1-2,4,11H,3H2,(H,10,12)(H,13,14).
What are the key properties of 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 233.61 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).